1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine

C15H14BrClN2O2 — CID 82775829

IUPAC1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
SMILESCC(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14BrClN2O2/c1-10(14-7-4-12(16)8-15(14)17)18-9-11-2-5-13(6-3-11)19(20)21/h2-8,10,18H,9H2,1H3
InChIKeyGNOZUBQGZDTJAT-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.86
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine

1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine (PubChem CID 82775829) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
PubChem CID82775829
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
SMILESCC(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14BrClN2O2/c1-10(14-7-4-12(16)8-15(14)17)18-9-11-2-5-13(6-3-11)19(20)21/h2-8,10,18H,9H2,1H3
InChIKeyGNOZUBQGZDTJAT-UHFFFAOYSA-N
XLogP4.86
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61063781
4-bromo-1-[1-bromo-2-(4-nitrophenyl)ethyl]-2-chlorobenzene
CID 63544495
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methyl-5-nitroaniline
CID 82774950
1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 82774626
1-(4-chloro-3-fluorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 82887406
(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 28649765
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
1-(5-chlorothiophen-2-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 43432653
(2S)-3-methyl-N-[(4-nitrophenyl)methyl]butan-2-amine
CID 28833402
2-[[1-(4-bromo-2-chlorophenyl)ethylamino]methyl]phenol
CID 114331621
1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 82774819
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-nitroaniline
CID 82774955

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine (CID 82775829) is 1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine is CC(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine?
The InChIKey is GNOZUBQGZDTJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-10(14-7-4-12(16)8-15(14)17)18-9-11-2-5-13(6-3-11)19(20)21/h2-8,10,18H,9H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine?
1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine has a molecular weight of 369.65 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 82775829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).